methyl 3-[(5-methyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(5-methyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carbonyl)amino]benzoate
methyl 3-[(5-methyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | S420-0495 |
| Compound Name: | methyl 3-[(5-methyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carbonyl)amino]benzoate |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Smiles: | CN1C2CCCCN2C(c2ccc(cc12)C(Nc1cccc(c1)C(=O)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0259 |
| logD: | 3.0259 |
| logSw: | -3.5445 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.553 |
| InChI Key: | JPYNHRRAKXJPJS-IBGZPJMESA-N |